Compound Detail
CHEMBL2299365
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Basic Information
| ChEMBL ID | CHEMBL2299365 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NRQBOMBGBRVCJF-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
302.4
MW (Da)
2.52
ALogP
4
HBA
2
HBD
80.1
PSA (Ų)
0.50
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MOLT-3 CHEMBL614176 | IC50 | 4.1 | 4.1 | 78720.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MOLT-3 | IC50 | = | 78720.0 | nM | 4.1 | Cytotoxicity against Homo sapiens (human) MOLT3 cells assessed as inhibition of ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-012-0402-6 | MOLT-3 | 1 |
| - | 10.1007/s00044-012-0402-6 | HepG2 | 1 |
| - | 10.1007/s00044-012-0402-6 | A549 | 1 |
| - | 10.1007/s00044-012-0402-6 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine